Compound Detail
CHEMBL2070248
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CCCCCCCCCCCCCCCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O
Basic Information
| ChEMBL ID | CHEMBL2070248 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BINHUIMAVHQSOM-QPGYUNECSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1495.8
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.48
EC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | Ki | 9.48 | 9.48 | 0.3 | 1 |
| Melanocortin receptor 4 CHEMBL259 | EC50 | 9.0 | 9.0 | 1.0 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | Ki | 8.52 | 8.52 | 3.0 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | Ki | 8.1 | 8.1 | 8.0 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | Ki | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | Ki | = | 0.33 | nM | 9.48 | Displacement of [125I]-NAD-alpha-MSH from MC4 receptor after 2 hrs by gamma coun... | 22335602 |
| Melanocortin receptor 4 | EC50 | = | 1.0 | nM | 9.0 | Agonist activity at human recombinant MC4 receptor expressed in BHK570 cells ass... | 22335602 |
| Melanocortin receptor 5 | Ki | = | 3.0 | nM | 8.52 | Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human M... | 22335602 |
| Melanocortin receptor 3 | Ki | = | 8.0 | nM | 8.1 | Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor express... | 22335602 |
| Melanocyte-stimulating hormone receptor | Ki | = | 130.0 | nM | 6.89 | Displacement of [125I]-NAD-alpha-MSH from human recombinant MC1 receptor express... | 22335602 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22335602 | 10.1021/jm201489a | Rattus norvegicus | 3 |
| 22335602 | 10.1021/jm201489a | Melanocortin receptor 4 | 2 |
| 22335602 | 10.1021/jm201489a | Melanocyte-stimulating hormone receptor | 1 |
| 22335602 | 10.1021/jm201489a | Melanocortin receptor 3 | 1 |
| 22335602 | 10.1021/jm201489a | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine